2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine

C13H19ClN2 — CID 114860401

IUPAC2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine
SMILESNCCc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C13H19ClN2/c14-12-4-5-13(11(10-12)6-7-15)16-8-2-1-3-9-16/h4-5,10H,1-3,6-9,15H2
InChIKeyTVWWSOKJNCHGRJ-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.83
Rot. Bonds3

About 2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine

2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine (PubChem CID 114860401) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine
PubChem CID114860401
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine
SMILESNCCc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C13H19ClN2/c14-12-4-5-13(11(10-12)6-7-15)16-8-2-1-3-9-16/h4-5,10H,1-3,6-9,15H2
InChIKeyTVWWSOKJNCHGRJ-UHFFFAOYSA-N
XLogP2.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 114860829
2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine
CID 3054967
2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 114861174
1-(4-chloro-2-iodophenyl)azepane
CID 107641046
N-[[2-(azocan-1-yl)-5-chlorophenyl]methyl]propan-2-amine
CID 114847751
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 114847574
2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 104980221
2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid
CID 117454603
2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114862190
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine
CID 114847580
2-(azepan-1-yl)-4-chloroaniline
CID 79688976

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine (CID 114860401) is 2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine is NCCc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of 2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine?
The InChIKey is TVWWSOKJNCHGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-12-4-5-13(11(10-12)6-7-15)16-8-2-1-3-9-16/h4-5,10H,1-3,6-9,15H2.
What are the key properties of 2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine?
2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine has a molecular weight of 238.76 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine is sourced from PubChem (CID 114860401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).